Vitas-M small molecule compound
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl][1-(carboxymethyl)-1H-indol-3-yl]acetic acid
Catalog ID
STK943576
SMILES OC(=O)Cn1cc(c2c1cccc2)C(N1CCN(CC1)c1ncc(cn1)Br)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H20BrN5O4 MW 474.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5O4/c21-13-9-22-20(23-10-13)25-7-5-24(6-8-25)18(19(29)30)15-11-26(12-17(27)28)16-4-2-1-3-14(15)16/h1-4,9-11,18H,5-8,12H2,(H,27,28)(H,29,30)InChIKey
WKJPCIKPRXLKHU-UHFFFAOYSA-NSynonyms
1214836-96-0(4(5bromopyrimidin2yl)piperazin1yl)(1(carboxymethyl)1Hindol3yl)aceticacid
1214836960
2(4(5bromopyrimidin2yl)piperazin1yl)2(1(carboxymethyl)1Hindol3yl)aceticacid
2(4(5bromopyrimidin2yl)piperazin1yl)2(1(carboxymethyl)indol3yl)aceticacid
C1CN(CCN1C2=NC=C(C=N2)Br)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O
InChI=1SC20H20BrN5O4c211392220(231013)257524(6825)18(19(29)30)151126(1217(27)28)16421314(15)16h1491118H5812H2(H2728)(H2930)
MFCD13756623
ZINC000036356842
ZINC000036356843
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